Geometry & MOs

Info

ID:	296512
PubChem CID:	117581041
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	301.06774
ΔH_f, kcal/mol:	-104.55
Dipole, Da:	3.68
IP(EA), eV:	-8.93(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-bromophenyl)ethyl-methylamino]butane-1,4-diol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)CCNC(CCO)CO)C)C

DOS

IR

Vibrations